2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine

C22H27N5 — CID 95819483

IUPAC2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C22H27N5/c1-17(2)21-25-13-16-27(21)22-20(23-11-12-24-22)19-9-6-14-26(19)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,19H,6,9-10,14-15H2,1-2H3/t19-/m0/s1
InChIKeyGZCBYYKDEWLJKI-IBGZPJMESA-N
MW361.49 g/mol
LogP4.17
Rot. Bonds6

About 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine

2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine (PubChem CID 95819483) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
PubChem CID95819483
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C22H27N5/c1-17(2)21-25-13-16-27(21)22-20(23-11-12-24-22)19-9-6-14-26(19)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,19H,6,9-10,14-15H2,1-2H3/t19-/m0/s1
InChIKeyGZCBYYKDEWLJKI-IBGZPJMESA-N
XLogP4.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
CID 110250098
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 110267789
2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95811002
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyridine
CID 95839027
1-[(3S)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95810928
(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95810882
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 95837499

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The IUPAC name of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine (CID 95819483) is 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine.
What is the SMILES notation for 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The canonical SMILES for 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine is CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The InChIKey is GZCBYYKDEWLJKI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5/c1-17(2)21-25-13-16-27(21)22-20(23-11-12-24-22)19-9-6-14-26(19)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,19H,6,9-10,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine has a molecular weight of 361.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine is sourced from PubChem (CID 95819483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).